UCSF

ZINC12411195

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2008 38 No

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Annotations

None

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.86 0.87 -54.63 0 10 -1 143 521.546 9
Mid Mid (pH 6-8) 4.86 0.8 -54.41 0 10 -1 143 521.546 9
Mid Mid (pH 6-8) 5.04 -0.31 -53.6 0 10 -1 143 521.546 9

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )